MMsINC Database Search


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MMsINC code: MMs00011047

Type: Neutral
Formula: C₁₀H₁₄O₂

SMILES:

O(CCCC)c1ccc(O)cc1

InChI:

InChI=1/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.4538 kcal/mol

Physical Properties
Molecular Weight: 166.22 g/mol	logS: -2.11751	SlogP: 2.5711	Reactive groups: 0

Topological Properties
Globularity: 0.0233241	Sterimol/B1: 2.39303	Sterimol/B2: 2.46567	Sterimol/B3: 3.8174
Sterimol/B4: 3.95493	Sterimol/L: 14.1068

Surface and Volume Properties
Accessible surface: 397.966	Positive charged surface: 269.168	Negative charged surface: 128.798	Volume: 177.25
Hydrophobic surface: 316.232	Hydrophilic surface: 81.734

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.